Statistical Analysis of the Impact of Molecular Descriptors on Antimicrobial Activity of Thiourea Derivatives Incorporating 3-amino-1,2,4-triazole Scaffold

  • Anna FilipowskaEmail author
  • Wojciech Filipowski
  • Ewaryst Tkacz
  • Monika Wujec
Conference paper
Part of the Advances in Intelligent Systems and Computing book series (AISC, volume 623)


The paper contains results of statistical and chemometric analysis for 15 thiourea derivatives containing the 3-amino-1,2,4-triazole moiety and characterized by antimicrobial activity against Staphylococcus aureus (NCTC 4163, ATCC 25923, ATCC 6538, ATCC 29213), Staphylococcus epidermidis (ATCC 12228) bacteria, as well as by low cytotoxicity (or lack thereof) against infected MT-4 cells. Multiple regression and cluster analysis were employed to perform the study. The research enabled obtaining linear relationships connected with three molecular descriptors SA, η, logP. The conducted chemometric analyses indicate that the increase in activity against the studied strains is closely related to the type and position of substituent in a phenyl ring.


Statistical analysis cluster analysis antimicrobial activity thiourea derivatives 3-amino-1,2,4-triazole 


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Copyright information

© Springer International Publishing AG 2018

Authors and Affiliations

  • Anna Filipowska
    • 1
    • 2
    Email author
  • Wojciech Filipowski
    • 1
  • Ewaryst Tkacz
    • 2
  • Monika Wujec
    • 3
  1. 1.Faculty of Automatic Control, Electronics and Computer ScienceSilesian University of TechnologyGliwicePoland
  2. 2.Department of Biosensors and Processing of Biomedical SignalsSilesian University of TechnologyGliwicePoland
  3. 3.Department of Organic ChemistryMedical University of LublinLublinPoland

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